ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate

C23H24N2O7S — CID 22583319

IUPACethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1
InChIInChI=1S/C23H24N2O7S/c1-4-31-23(27)16-5-8-18(9-6-16)24-22(26)11-12-33(28,29)21-14-17(7-10-19(21)30-3)20-13-15(2)25-32-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyHOIAFNYOHUZALR-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.64
Rot. Bonds9

About ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate

ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate (PubChem CID 22583319) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
PubChem CID22583319
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Nameethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1
InChIInChI=1S/C23H24N2O7S/c1-4-31-23(27)16-5-8-18(9-6-16)24-22(26)11-12-33(28,29)21-14-17(7-10-19(21)30-3)20-13-15(2)25-32-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyHOIAFNYOHUZALR-UHFFFAOYSA-N
XLogP3.64
TPSA124.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53059944
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53005351
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate
CID 22421823
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate (CID 22583319) is ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1.
What is the InChIKey of ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate?
The InChIKey is HOIAFNYOHUZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c1-4-31-23(27)16-5-8-18(9-6-16)24-22(26)11-12-33(28,29)21-14-17(7-10-19(21)30-3)20-13-15(2)25-32-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26).
What are the key properties of ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate?
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate has a molecular weight of 472.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate is sourced from PubChem (CID 22583319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).